UCSF

ZINC54931212

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

Popular Name: 8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine 8-methoxy-N-propyl-5,6-dihydrobe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 6.93 -26.39 2 4 1 48 270.356 4 ↓
Mid Mid (pH 6-8) 3.29 6.83 -10.19 1 4 0 47 269.348 4 ↓
Mid Mid (pH 6-8) 3.29 6.99 -29.23 2 4 1 48 270.356 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.